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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004678.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004678
_chemical_name 'Beyerite'
loop_
_publ_author_name
'Grice J D'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 40
_journal_year 2002
_journal_page_first 693
_journal_page_last 698
_publ_section_title
;
 A solution to the crystal structures of bismutite and beyerite
;
_chemical_formula_sum 'Bi2 Ca C2 O8'
_cell_length_a 3.7729
_cell_length_b 3.7742
_cell_length_c 21.726
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 309.371
_symmetry_space_group_name_H-M 'I m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Bi   0.00000   0.00000  -0.30915   0.01051
Ca   0.00000   0.00000   0.50000   0.01090
C   0.50000   0.50000   0.41070   0.01400
O1   0.50000   0.00000   0.25580   0.00500
O2   0.50000   0.20700   0.43790   0.01580
O3   0.50000   0.50000   0.34980   0.02000